3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile

C68H77Cl3N14O6S — CID 161136278

IUPAC3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile
SMILESCC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C#N)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21ClN4O2.C17H22ClN3O.C16H20N4O2S.C13H14ClN3O/c23-16-12-18-17(6-9-24-18)19(13-16)26-10-7-22(8-11-26)20(28)27(21(29)25-22)14-15-4-2-1-3-5-15;1-11(22)20-16-5-7-21(10-17(16,2)3)15-9-12(18)8-14-13(15)4-6-19-14;1-16(2)11-19(6-7-20(16)23(3,21)22)15-9-12(10-17)8-14-13(15)4-5-18-14;1-16-4-5-17(8-13(16)18)12-7-9(14)6-11-10(12)2-3-15-11/h1-6,9,12-13,24H,7-8,10-11,14H2,(H,25,29);4,6,8-9,16,19H,5,7,10H2,1-3H3,(H,20,22);4-5,8-9,18H,6-7,11H2,1-3H3;2-3,6-7,15H,4-5,8H2,1H3
InChIKeyUMVMQZQQUNABAE-UHFFFAOYSA-N
MW1324.88 g/mol
LogP11.47
Rot. Bonds8

About 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile

3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile (PubChem CID 161136278) has the molecular formula C68H77Cl3N14O6S and a molecular weight of 1324.88 g/mol. Its IUPAC name is 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile
PubChem CID161136278
Molecular FormulaC68H77Cl3N14O6S
Molecular Weight1324.88 g/mol
Exact Mass1322.49
IUPAC Name3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile
SMILESCC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C#N)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21ClN4O2.C17H22ClN3O.C16H20N4O2S.C13H14ClN3O/c23-16-12-18-17(6-9-24-18)19(13-16)26-10-7-22(8-11-26)20(28)27(21(29)25-22)14-15-4-2-1-3-5-15;1-11(22)20-16-5-7-21(10-17(16,2)3)15-9-12(18)8-14-13(15)4-6-19-14;1-16(2)11-19(6-7-20(16)23(3,21)22)15-9-12(10-17)8-14-13(15)4-5-18-14;1-16-4-5-17(8-13(16)18)12-7-9(14)6-11-10(12)2-3-15-11/h1-6,9,12-13,24H,7-8,10-11,14H2,(H,25,29);4,6,8-9,16,19H,5,7,10H2,1-3H3,(H,20,22);4-5,8-9,18H,6-7,11H2,1-3H3;2-3,6-7,15H,4-5,8H2,1H3
InChIKeyUMVMQZQQUNABAE-UHFFFAOYSA-N
XLogP11.47
TPSA236.11 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.88
LogP ≤ 511.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile with MolForge

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Related Compounds

6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 157802581
8-(6-chloro-1H-indol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indole;2-methyl-5-[6-(trifluoromethyl)-1H-indol-4-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 157942579
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;8-(6-chloro-1H-indazol-4-yl)-3-[2-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159891528
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 160850891
7-(6-chloro-1H-indol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;5-(6-chloro-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1'-(6-chloro-1H-indol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole
CID 161582824
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 161985617
1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole
CID 157115296
5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-(6-chloro-1H-indazol-4-yl)-N,4-dimethylpiperidine-4-carboxamide;8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;N-[2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-7-carbonitrile
CID 157209573
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 157214604
1-(6-chloro-1H-indazol-4-yl)-N,4-dimethylpiperidine-4-carboxamide;8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;N-[2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-7-carbonitrile
CID 157218185

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile (CID 161136278) is 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile is CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C#N)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1=O.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile?
The InChIKey is UMVMQZQQUNABAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C17H22ClN3O.C16H20N4O2S.C13H14ClN3O/c23-16-12-18-17(6-9-24-18)19(13-16)26-10-7-22(8-11-26)20(28)27(21(29)25-22)14-15-4-2-1-3-5-15;1-11(22)20-16-5-7-21(10-17(16,2)3)15-9-12(18)8-14-13(15)4-6-19-14;1-16(2)11-19(6-7-20(16)23(3,21)22)15-9-12(10-17)8-14-13(15)4-5-18-14;1-16-4-5-17(8-13(16)18)12-7-9(14)6-11-10(12)2-3-15-11/h1-6,9,12-13,24H,7-8,10-11,14H2,(H,25,29);4,6,8-9,16,19H,5,7,10H2,1-3H3,(H,20,22);4-5,8-9,18H,6-7,11H2,1-3H3;2-3,6-7,15H,4-5,8H2,1H3.
What are the key properties of 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile?
3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile has a molecular weight of 1324.88 g/mol, XLogP of 11.47, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(6-chloro-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indol-4-yl)-1-methylpiperazin-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 161136278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).